CID 571344

2,2,3,3,4,4,4-heptafluoro-n-(1-phenylethyl)butanamide

Structural Information

Molecular Formula
C12H10F7NO
SMILES
CC(C1=CC=CC=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H10F7NO/c1-7(8-5-3-2-4-6-8)20-9(21)10(13,14)11(15,16)12(17,18)19/h2-7H,1H3,(H,20,21)
InChIKey
XVGDQPCIRYTQHC-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(1-phenylethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

317.06506 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07234 162.1
[M+Na]+ 340.05428 169.0
[M-H]- 316.05778 156.6
[M+NH4]+ 335.09888 175.7
[M+K]+ 356.02822 165.6
[M+H-H2O]+ 300.06232 150.7
[M+HCOO]- 362.06326 172.8
[M+CH3COO]- 376.07891 207.7
[M+Na-2H]- 338.03973 164.9
[M]+ 317.06451 151.1
[M]- 317.06561 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.